[2-[4-(6-methyl-1-benzofuran-3-yl)piperidin-1-yl]phenyl]-phenylmethanone

C27H25NO2 — CID 175746096

IUPAC[2-[4-(6-methyl-1-benzofuran-3-yl)piperidin-1-yl]phenyl]-phenylmethanone
SMILESCc1ccc2c(C3CCN(c4ccccc4C(=O)c4ccccc4)CC3)coc2c1
InChIInChI=1S/C27H25NO2/c1-19-11-12-22-24(18-30-26(22)17-19)20-13-15-28(16-14-20)25-10-6-5-9-23(25)27(29)21-7-3-2-4-8-21/h2-12,17-18,20H,13-16H2,1H3
InChIKeyVRKSCKZPJBDEGE-UHFFFAOYSA-N
MW395.50 g/mol
LogP6.36
Rot. Bonds4

About [2-[4-(6-methyl-1-benzofuran-3-yl)piperidin-1-yl]phenyl]-phenylmethanone

[2-[4-(6-methyl-1-benzofuran-3-yl)piperidin-1-yl]phenyl]-phenylmethanone (PubChem CID 175746096) has the molecular formula C27H25NO2 and a molecular weight of 395.50 g/mol. Its IUPAC name is [2-[4-(6-methyl-1-benzofuran-3-yl)piperidin-1-yl]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-[4-(6-methyl-1-benzofuran-3-yl)piperidin-1-yl]phenyl]-phenylmethanone
PubChem CID175746096
Molecular FormulaC27H25NO2
Molecular Weight395.50 g/mol
Exact Mass395.19
IUPAC Name[2-[4-(6-methyl-1-benzofuran-3-yl)piperidin-1-yl]phenyl]-phenylmethanone
SMILESCc1ccc2c(C3CCN(c4ccccc4C(=O)c4ccccc4)CC3)coc2c1
InChIInChI=1S/C27H25NO2/c1-19-11-12-22-24(18-30-26(22)17-19)20-13-15-28(16-14-20)25-10-6-5-9-23(25)27(29)21-7-3-2-4-8-21/h2-12,17-18,20H,13-16H2,1H3
InChIKeyVRKSCKZPJBDEGE-UHFFFAOYSA-N
XLogP6.36
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.50
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(6-methyl-1-benzofuran-3-yl)piperidin-1-yl]phenyl]-phenylmethanone?
The IUPAC name of [2-[4-(6-methyl-1-benzofuran-3-yl)piperidin-1-yl]phenyl]-phenylmethanone (CID 175746096) is [2-[4-(6-methyl-1-benzofuran-3-yl)piperidin-1-yl]phenyl]-phenylmethanone.
What is the SMILES notation for [2-[4-(6-methyl-1-benzofuran-3-yl)piperidin-1-yl]phenyl]-phenylmethanone?
The canonical SMILES for [2-[4-(6-methyl-1-benzofuran-3-yl)piperidin-1-yl]phenyl]-phenylmethanone is Cc1ccc2c(C3CCN(c4ccccc4C(=O)c4ccccc4)CC3)coc2c1.
What is the InChIKey of [2-[4-(6-methyl-1-benzofuran-3-yl)piperidin-1-yl]phenyl]-phenylmethanone?
The InChIKey is VRKSCKZPJBDEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO2/c1-19-11-12-22-24(18-30-26(22)17-19)20-13-15-28(16-14-20)25-10-6-5-9-23(25)27(29)21-7-3-2-4-8-21/h2-12,17-18,20H,13-16H2,1H3.
What are the key properties of [2-[4-(6-methyl-1-benzofuran-3-yl)piperidin-1-yl]phenyl]-phenylmethanone?
[2-[4-(6-methyl-1-benzofuran-3-yl)piperidin-1-yl]phenyl]-phenylmethanone has a molecular weight of 395.50 g/mol, XLogP of 6.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(6-methyl-1-benzofuran-3-yl)piperidin-1-yl]phenyl]-phenylmethanone is sourced from PubChem (CID 175746096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).